Magnesium in PDB 6nmk: Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin

The structure of Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin, PDB code: 6nmk was solved by M.J.Cuneo, B.Selvaraj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.07 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.000, 97.710, 101.970, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.1

The structure of Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin (pdb code 6nmk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin, PDB code: 6nmk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:46.0 occ:1.00 OE1 A:GLU145 2.1 48.3 1.0 O4 B:NMY302 2.6 40.0 1.0 O B:HOH463 2.6 37.6 1.0 CD A:GLU145 3.0 52.0 1.0 N9 B:NMY302 3.0 31.8 1.0 C5 B:NMY302 3.0 41.9 1.0 C4 B:NMY302 3.1 48.5 1.0 O B:HOH416 3.2 42.1 1.0 OE2 A:GLU145 3.2 56.1 1.0 C3 B:NMY302 3.5 45.5 1.0 OE1 B:GLU76 3.5 30.5 1.0 O B:HOH533 3.5 51.1 1.0 C6 B:NMY302 3.7 51.1 1.0 NZ B:LYS74 3.7 42.0 1.0 O1 B:NMY302 4.0 39.2 1.0 OE2 B:GLU67 4.0 28.1 1.0 OE2 B:GLU52 4.0 43.2 1.0 N6 B:NMY302 4.2 45.7 1.0 O5 B:NMY302 4.2 42.1 1.0 C9 B:NMY302 4.3 32.9 1.0 CG A:GLU145 4.3 38.3 1.0 O3 B:NMY302 4.3 38.5 1.0 C1 B:NMY302 4.5 45.7 1.0 C2 B:NMY302 4.5 42.1 1.0 O A:GLU141 4.5 27.8 1.0 C10 B:NMY302 4.6 39.0 1.0 CD B:GLU76 4.7 30.2 1.0 CE B:LYS74 4.8 33.8 1.0 O B:HOH499 4.9 23.3 1.0

Magnesium binding site 2 out of 2 in the Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Binary Complex Structure of the T130K Mutant of Ant-4'' with Neomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:45.2 occ:1.00 OE2 B:GLU145 2.3 44.1 1.0 O4 A:NMY301 2.5 34.0 1.0 C5 A:NMY301 2.7 48.4 1.0 N9 A:NMY301 2.8 34.5 1.0 OE1 B:GLU145 2.9 52.0 1.0 CD B:GLU145 2.9 48.9 1.0 C4 A:NMY301 3.0 39.2 1.0 O A:HOH459 3.0 31.6 1.0 O A:HOH500 3.3 43.4 1.0 C3 A:NMY301 3.3 42.8 1.0 OE1 A:GLU76 3.5 31.7 1.0 O A:HOH447 3.6 44.0 1.0 C6 A:NMY301 3.6 49.8 1.0 NZ A:LYS74 3.8 31.3 1.0 O1 A:NMY301 3.8 33.6 1.0 O5 A:NMY301 3.9 37.1 1.0 C9 A:NMY301 4.1 33.5 1.0 C1 A:NMY301 4.2 37.7 1.0 OE1 A:GLU52 4.2 37.7 1.0 OE1 A:GLU67 4.3 22.3 1.0 N6 A:NMY301 4.3 52.0 1.0 O3 A:NMY301 4.3 34.1 1.0 C2 A:NMY301 4.3 34.9 1.0 C10 A:NMY301 4.3 37.4 1.0 CG B:GLU145 4.4 35.0 1.0 O B:GLU141 4.5 27.3 1.0 CD A:GLU76 4.7 22.7 1.0 O B:HOH405 4.9 45.0 1.0

P.Kumar, E.H.Serpersu, M.J.Cuneo. Catch and Release: A Novel Variation of the Archetypal Nucleotidyl Transfer Reaction To Be Published.